## 1-Benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester
This compound is a **pyrazole derivative** with a complex structure. Its chemical name is quite long and can be broken down into several parts:
* **1-Benzoyl:** Indicates a benzoyl group (C6H5CO-) attached at the first position of the pyrazole ring.
* **5-Hydroxy:** Signifies a hydroxyl group (OH-) attached at the fifth position of the pyrazole ring.
* **5-(4-methylphenyl):** Represents a para-methylphenyl group (C6H4CH3-) also attached at the fifth position of the pyrazole ring.
* **4H-pyrazole:** Refers to the pyrazole ring with a hydrogen atom at the fourth position.
* **3-carboxylic acid ethyl ester:** This indicates an ethyl ester group (CO2CH2CH3) attached to the third position of the pyrazole ring.
**Importance in research:**
This specific compound has not been widely studied and information about its specific applications in research is scarce. However, it's crucial to understand that **pyrazole derivatives** in general are known for their **pharmacological activity** and are frequently investigated for their potential use in:
* **Anti-inflammatory:** Pyrazoles have shown promise in reducing inflammation.
* **Anti-cancer:** Some pyrazole derivatives exhibit anticancer activity by targeting specific cellular pathways.
* **Antimicrobial:** Pyrazole compounds can possess antimicrobial properties, making them potentially useful for treating infections.
* **Other therapeutic applications:** Pyrazoles have been explored for their potential in treating a variety of other conditions like epilepsy, Alzheimer's disease, and even HIV.
**Further research:**
To understand the potential of 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4H-pyrazole-3-carboxylic acid ethyl ester, further investigation is required. Research could focus on:
* **Synthesis and purification:** Developing efficient methods for synthesizing and purifying the compound.
* **Biological activity:** Studying its interactions with biological systems, including its effects on specific enzymes or receptors.
* **Pharmacokinetic properties:** Investigating how the compound is absorbed, distributed, metabolized, and excreted in the body.
* **Toxicity studies:** Determining the safety profile of the compound before considering any potential therapeutic applications.
Overall, this compound represents a promising lead for exploring new therapeutic agents based on the pyrazole scaffold. However, more research is necessary to fully understand its properties and potential applications.
ID Source | ID |
---|---|
PubMed CID | 4343946 |
CHEMBL ID | 1379214 |
CHEBI ID | 109715 |
Synonym |
---|
HMS2592D04 |
ethyl 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4,5-dihydro-1h-pyrazole-3-carboxylate |
AG-690/36660062 |
OPREA1_583421 |
smr000226333 |
MLS000700096 , |
CHEBI:109715 |
ethyl 1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4h-pyrazole-3-carboxylate |
cid_4343946 |
1-benzoyl-5-hydroxy-5-(p-tolyl)-2-pyrazoline-3-carboxylic acid ethyl ester |
1-benzoyl-5-hydroxy-5-(4-methylphenyl)-4h-pyrazole-3-carboxylic acid ethyl ester |
bdbm72352 |
ethyl 5-(4-methylphenyl)-5-oxidanyl-1-(phenylcarbonyl)-4h-pyrazole-3-carboxylate |
CHEMBL1379214 |
Q27188943 |
Class | Description |
---|---|
benzoic acids | Any aromatic carboxylic acid that consists of benzene in which at least a single hydrogen has been substituted by a carboxy group. |
[compound class information is derived from Chemical Entities of Biological Interest (ChEBI), Hastings J, Owen G, Dekker A, Ennis M, Kale N, Muthukrishnan V, Turner S, Swainston N, Mendes P, Steinbeck C. (2016). ChEBI in 2016: Improved services and an expanding collection of metabolites. Nucleic Acids Res] |
Protein | Taxonomy | Measurement | Average (µ) | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Chain A, Ferritin light chain | Equus caballus (horse) | Potency | 25.1189 | 5.6234 | 17.2929 | 31.6228 | AID485281 |
Luciferase | Photinus pyralis (common eastern firefly) | Potency | 13.4591 | 0.0072 | 15.7588 | 89.3584 | AID588342 |
TDP1 protein | Homo sapiens (human) | Potency | 27.5110 | 0.0008 | 11.3822 | 44.6684 | AID686978; AID686979 |
Microtubule-associated protein tau | Homo sapiens (human) | Potency | 19.9526 | 0.1800 | 13.5574 | 39.8107 | AID1460 |
apical membrane antigen 1, AMA1 | Plasmodium falciparum 3D7 | Potency | 3.9811 | 0.7079 | 12.1943 | 39.8107 | AID720542 |
histone-lysine N-methyltransferase 2A isoform 2 precursor | Homo sapiens (human) | Potency | 39.8107 | 0.0103 | 23.8567 | 63.0957 | AID2662 |
nuclear receptor ROR-gamma isoform 1 | Mus musculus (house mouse) | Potency | 19.0919 | 0.0079 | 8.2332 | 1,122.0200 | AID2546; AID2551 |
DNA dC->dU-editing enzyme APOBEC-3F isoform a | Homo sapiens (human) | Potency | 25.1189 | 0.0259 | 11.2398 | 31.6228 | AID602313 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Hsf1 protein | Mus musculus (house mouse) | EC50 (µMol) | 260.0000 | 0.1600 | 24.4900 | 236.5000 | AID435004 |
corticotropin-releasing hormone receptor 2 | Homo sapiens (human) | EC50 (µMol) | 13.5000 | 1.1200 | 11.5617 | 36.8000 | AID602473 |
corticotropin releasing factor-binding protein | Homo sapiens (human) | EC50 (µMol) | 13.5000 | 1.1200 | 11.5617 | 36.8000 | AID602473 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Protein | Taxonomy | Measurement | Average | Min (ref.) | Avg (ref.) | Max (ref.) | Bioassay(s) |
---|---|---|---|---|---|---|---|
Hsf1 protein | Mus musculus (house mouse) | AbsAC40_uM | 8.9100 | 1.2400 | 12.4600 | 25.2000 | AID602296 |
[prepared from compound, protein, and bioassay information from National Library of Medicine (NLM), extracted Dec-2023] |
Assay ID | Title | Year | Journal | Article |
---|---|---|---|---|
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588497 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain F protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID504812 | Inverse Agonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588501 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Lethal Factor Protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Current protocols in cytometry, Oct, Volume: Chapter 13 | Microsphere-based flow cytometry protease assays for use in protease activity detection and high-throughput screening. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2006 | Cytometry. Part A : the journal of the International Society for Analytical Cytology, May, Volume: 69, Issue:5 | Microsphere-based protease assays and screening application for lethal factor and factor Xa. |
AID588499 | High-throughput multiplex microsphere screening for inhibitors of toxin protease, specifically Botulinum neurotoxin light chain A protease, MLPCN compound set | 2010 | Assay and drug development technologies, Feb, Volume: 8, Issue:1 | High-throughput multiplex flow cytometry screening for botulinum neurotoxin type a light chain protease inhibitors. |
AID504810 | Antagonists of the Thyroid Stimulating Hormone Receptor: HTS campaign | 2010 | Endocrinology, Jul, Volume: 151, Issue:7 | A small molecule inverse agonist for the human thyroid-stimulating hormone receptor. |
AID651635 | Viability Counterscreen for Primary qHTS for Inhibitors of ATXN expression | |||
[information is prepared from bioassay data collected from National Library of Medicine (NLM), extracted Dec-2023] |
Timeframe | Studies, This Drug (%) | All Drugs % |
---|---|---|
pre-1990 | 0 (0.00) | 18.7374 |
1990's | 0 (0.00) | 18.2507 |
2000's | 1 (20.00) | 29.6817 |
2010's | 3 (60.00) | 24.3611 |
2020's | 1 (20.00) | 2.80 |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |
According to the monthly volume, diversity, and competition of internet searches for this compound, as well the volume and growth of publications, there is estimated to be weak demand-to-supply ratio for research on this compound.
| This Compound (12.56) All Compounds (24.57) |
Publication Type | This drug (%) | All Drugs (%) |
---|---|---|
Trials | 0 (0.00%) | 5.53% |
Reviews | 0 (0.00%) | 6.00% |
Case Studies | 0 (0.00%) | 4.05% |
Observational | 0 (0.00%) | 0.25% |
Other | 5 (100.00%) | 84.16% |
[information is prepared from research data collected from National Library of Medicine (NLM), extracted Dec-2023] |